Data collection | |||
---|---|---|---|
Beamline | DESY X12 | ||
Temperature (K) | 100 | ||
Dataset type | Peak | Inflection point | High-energy remote |
Wavelength (Å) | 1.10371 | 1.10420 | 1.10009 |
Data range (°) | 180 | ||
Oscillation range (°) | 0.5 | ||
Space group | P31 | ||
Unit cell parameters (Å) | a = b = 53.0, c = 143.5 | ||
Resolution (Å) | 20 to 2.8 (2.95 to 2.8) | ||
Unique reflections | 19,800 (3,352) | 19,790 (3,392) | 19,765 (3,365) |
Redundancy | 2.84 (2.84) | 2.83 (2.82) | 2.84 (2.84) |
Completeness (%) | 90.0 (94.5) | 89.9 (96.9) | 89.7 (95.9) |
Mean I/σI | 16.5 (3.45) | 15.52 (2.92) | 18.19 (3.84) |
Rmergea | 0.05 (0.30) | 0.06 (0.40) | 0.05 (0.28) |
Mosaicity (°) | 0.271 | ||
Estimated Wilson B (Å2) | 54.1 | ||
Refinement | |||
R work b | 0.2271 | ||
R free c | 0.2508 | ||
Molecules in the asymmetric unit (DC-LAMP/GlcNAc/Ir) | 2/2/4 | ||
No. of atoms | |||
Protein | 2,438 | ||
Hetero atoms | 32 | ||
Water | 10 | ||
Total | 2,480 | ||
Atomic displacement factor B (Å2) | 61.3 | ||
Real space correlation coefficientd | 0.882 | ||
r.m.s.d. from ideal | |||
Bond lengths (Å) | 0.0056 | ||
Bond angles (°) | 1.023 | ||
Ramachandran plot | |||
Favored (%) | 90.9 | ||
Allowed (%) | 6.8 | ||
Disallowed (%) | 2.3 |